methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C19H24N2O6 — CID 90149690

IUPACmethyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1cccc2ccc(OC)nc12
InChIInChI=1S/C19H24N2O6/c1-19(2,3)27-18(24)21-15(16(22)17(23)26-5)12-8-6-7-11-9-10-13(25-4)20-14(11)12/h6-10,15-16,22H,1-5H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyQMISESNKLLBMQC-CVEARBPZSA-N
MW376.41 g/mol
LogP2.34
Rot. Bonds5

About methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 90149690) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID90149690
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namemethyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCOC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1cccc2ccc(OC)nc12
InChIInChI=1S/C19H24N2O6/c1-19(2,3)27-18(24)21-15(16(22)17(23)26-5)12-8-6-7-11-9-10-13(25-4)20-14(11)12/h6-10,15-16,22H,1-5H3,(H,21,24)/t15-,16+/m1/s1
InChIKeyQMISESNKLLBMQC-CVEARBPZSA-N
XLogP2.34
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate with MolForge

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Related Compounds

methyl 3-(3-aminophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 74420495
(2S,3S)-2-hydroxy-3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2762358
2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 158814860
(2S,3R)-3-hydroxy-3-(6-methoxy-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 125458291
2-amino-2-(2-methoxyquinolin-8-yl)ethanol
CID 67131015
tert-butyl N-[(1R,2S,4R)-2-hydroxy-4-[(2-methoxyquinolin-8-yl)carbamoyl]cyclohexyl]carbamate
CID 68699602
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 68529498
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
(2R,3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 40787326
diethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-1-ylmethyl]propanedioate
CID 11611380
methyl (2R,3S)-2-(benzhydrylideneamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-1-ylpropanoate
CID 102173114
methyl (2S)-3-(6-methoxypyridazin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 166810317

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 90149690) is methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1cccc2ccc(OC)nc12.
What is the InChIKey of methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is QMISESNKLLBMQC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-19(2,3)27-18(24)21-15(16(22)17(23)26-5)12-8-6-7-11-9-10-13(25-4)20-14(11)12/h6-10,15-16,22H,1-5H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 376.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-hydroxy-3-(2-methoxyquinolin-8-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 90149690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).